(Z)-bis(diphenylmethyl)diphosphene

• ChemBase ID: 295421
• Molecular Formular: C26H24P2
• Molecular Mass: 398.416282
• Monoisotopic Mass: 398.13532403
• SMILES: c1ccc(cc1)C(c1ccccc1)/P=P\C(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C(c1ccccc1)/P=P\C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H22P2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
• InChIKey: RXVONHBNAGUPIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-bis(diphenylmethyl)diphosphene
• IUPAC Traditional name: (Z)-bis(diphenylmethyl)diphosphene
• Synonyms: cis-1,2-Bis(diphenylphosphino)ethylene; 顺-1,2-双(二苯基膦)乙烯

Database IDs

• CAS Number: 983-80-2
• EC Number: 213-569-7
• MDL Number: MFCD00003046
• Beilstein Number: 757792
• PubChem SID: 180680952
• PubChem CID: 73995037

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.759
• LogD (pH = 7.4): 7.759
• Log P: 7.759
• Molar Refractivity: 119.6398 cm^3
• Polarizability: 47.609932 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 122-126°C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

REFERENCES

• Chelating ligand.